国家/地区 India（6）
关键词 DFT（6） DOCKING（3） GRAPHENE（3）
MOLECULAR DOCKING（3） TRIAZOLE（3） NLO（2）
SERS（2）
出版物 JOURNAL OF BIOMOLEC.（2） JOURNAL OF MOLECULA.（2）
出版时间 2020（4）
机构 FATIMA MATA NATL COLL AUTONOMOUS（6）
作者 MARY YS（6） ALOTAIBI JS（5） ALMUQRIN AH（4） KAYA S（2）
THOMAS R（2）

Spectral analysis and DFT investigation of some benzopyran analogues and their self-assemblies with graphene

JOURNAL OF MOLECULAR LIQUIDS

ALOTAIBI JS, MARY YS, MARY YS, KAYA S, ERKAN S

Understanding reactivity of a triazole derivative and its interaction with graphene and doped/undoped-coronene-a DFT study

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

MARY YS, MARY YS, ARMAKOVIC S, ARMAKOVIC SJ, NARAYANA B

Comprehensive quantum mechanical studies on three bioactive anastrozole based triazole analogues and their SERS active graphene complex

JOURNAL OF MOLECULAR STRUCTURE

ALOTAIBI JS, ALMUQRIN AH, MARY YS, MARY YS

DFT and molecular docking studies of self-assembly of sulfone analogues and graphene

JOURNAL OF MOLECULAR MODELING

ALOTAIBI JS, ALMUQRIN AH, MARY YS, MARY YS, VAN ALSENOY C

Spectral analysis and detailed quantum mechanical investigation of some acetanilide analogues and their self-assemblies with graphene and fullerene

JOURNAL OF MOLECULAR MODELING

ALMUQRIN AH, ALOTAIBI JS, MARY YS, THOMAS R, KAYA S, ISIN DO

Structural study of letrozole and metronidazole and formation of self-assembly with graphene and fullerene with the enhancement of physical, chemical and biological activities

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

ALMUQRIN AH, ALOTAIBI JS, MARY YS, MARY YS, THOMAS R